SCHEMBL7429664

SCHEMBL7429664

CCO[PH](=O)CCCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7192279 0.95 ADRA1A (0.42) MAOBMEN1KMT2AALOX5L3MBTL1
SCHEMBL8290989 0.87 TAAR1 (0.40) MAOBL3MBTL1MAOAMAPTHTR2A
SCHEMBL4839006 0.84 MAOB (0.46) MAOBMAOASIGMAR1MAPTRXFP1
SCHEMBL8638637 0.82 L3MBTL1 (0.44) MAOBMEN1KMT2AALOX5L3MBTL1
SCHEMBL19974058 0.78 SIGMAR1 (0.41) MEN1KMT2AALOX5SIGMAR1
SCHEMBL7307286 0.77 ADRA1A (0.42) MEN1KMT2AL3MBTL1MAOASIGMAR1
SCHEMBL563886 0.76 TP53 (0.41) MAOBHTR2A
SCHEMBL13992719 0.73 CNR2 (0.40) MAOBL3MBTL1
SCHEMBL6014668 0.73 MEN1 (0.50) MEN1KMT2AMAOASIGMAR1MAPT
SCHEMBL2357339 0.72 MAPT (0.52) MAOBALOX5MAOASIGMAR1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0120728-A1 Thiazine and thiazepine containing compounds E.R. Squibb & Sons, Inc. (US) 1984-10-03 EP disclosed